3-ethyl-1-methyl-5-N-(2-methylsulfanylcyclohexyl)pyrazole-4,5-diamine

C13H24N4S — CID 114122376

IUPAC3-ethyl-1-methyl-5-N-(2-methylsulfanylcyclohexyl)pyrazole-4,5-diamine
SMILESCCc1nn(C)c(NC2CCCCC2SC)c1N
InChIInChI=1S/C13H24N4S/c1-4-9-12(14)13(17(2)16-9)15-10-7-5-6-8-11(10)18-3/h10-11,15H,4-8,14H2,1-3H3
InChIKeyOBHAQDNOTQMWHI-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.65
Rot. Bonds4

About 3-ethyl-1-methyl-5-N-(2-methylsulfanylcyclohexyl)pyrazole-4,5-diamine

3-ethyl-1-methyl-5-N-(2-methylsulfanylcyclohexyl)pyrazole-4,5-diamine (PubChem CID 114122376) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is 3-ethyl-1-methyl-5-N-(2-methylsulfanylcyclohexyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name3-ethyl-1-methyl-5-N-(2-methylsulfanylcyclohexyl)pyrazole-4,5-diamine
PubChem CID114122376
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC Name3-ethyl-1-methyl-5-N-(2-methylsulfanylcyclohexyl)pyrazole-4,5-diamine
SMILESCCc1nn(C)c(NC2CCCCC2SC)c1N
InChIInChI=1S/C13H24N4S/c1-4-9-12(14)13(17(2)16-9)15-10-7-5-6-8-11(10)18-3/h10-11,15H,4-8,14H2,1-3H3
InChIKeyOBHAQDNOTQMWHI-UHFFFAOYSA-N
XLogP2.65
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-1-methyl-5-N-(2-methylsulfanylcyclohexyl)pyrazole-4,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-5-N-(2-methylsulfanylcyclohexyl)pyrazole-4,5-diamine?
The IUPAC name of 3-ethyl-1-methyl-5-N-(2-methylsulfanylcyclohexyl)pyrazole-4,5-diamine (CID 114122376) is 3-ethyl-1-methyl-5-N-(2-methylsulfanylcyclohexyl)pyrazole-4,5-diamine.
What is the SMILES notation for 3-ethyl-1-methyl-5-N-(2-methylsulfanylcyclohexyl)pyrazole-4,5-diamine?
The canonical SMILES for 3-ethyl-1-methyl-5-N-(2-methylsulfanylcyclohexyl)pyrazole-4,5-diamine is CCc1nn(C)c(NC2CCCCC2SC)c1N.
What is the InChIKey of 3-ethyl-1-methyl-5-N-(2-methylsulfanylcyclohexyl)pyrazole-4,5-diamine?
The InChIKey is OBHAQDNOTQMWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-4-9-12(14)13(17(2)16-9)15-10-7-5-6-8-11(10)18-3/h10-11,15H,4-8,14H2,1-3H3.
What are the key properties of 3-ethyl-1-methyl-5-N-(2-methylsulfanylcyclohexyl)pyrazole-4,5-diamine?
3-ethyl-1-methyl-5-N-(2-methylsulfanylcyclohexyl)pyrazole-4,5-diamine has a molecular weight of 268.43 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-5-N-(2-methylsulfanylcyclohexyl)pyrazole-4,5-diamine is sourced from PubChem (CID 114122376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).